Geometry & MOs

Info

ID:	166187
PubChem CID:	74648440
Reduced:	SO2N4H18C24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	71.93
Dipole, Da:	7.87
IP(EA), eV:	-9.13(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-(2-phenylsulfanylethyl)pyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C=CS2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations